SCHEMBL9158591

SCHEMBL9158591

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.48
▸ ITGA2B P08514 4/20 0.48
▸ DPP4 P27487 2/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ SIRT1 Q96EB6 2/20 0.47
▸ SIRT3 Q9NTG7 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ TPSAB1 Q15661 2/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7594443 0.97 PRSS1 (0.49) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL11546767 0.87 L3MBTL1 (0.41) DPP4SIRT2SIRT1SIRT3ECE1
SCHEMBL11066257 0.85 CTSL (0.55) CTSL
SCHEMBL16494584 0.84 HDAC1 (0.55) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL648254 0.84 HDAC1 (0.55) ITGB3ITGA2BDPP4SIRT2SIRT1
Hydrochloric Acid SCHEMBL1930429 0.83 HDAC1 (0.54) ITGB3ITGA2BDPP4SIRT2SIRT1
Hydrochloric Acid SCHEMBL28627653 0.83 HDAC1 (0.54) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL2778594 0.83 ITGB3 (0.53) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL8433172 0.82 HDAC1 (0.65) ITGB3ITGA2BHDAC1HDAC2CTSL
Hydrochloric Acid SCHEMBL23723888 0.82 HDAC1 (0.56) ITGB3ITGA2BDPP4SIRT2SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437563-B1 BIOLOGICALLY ACTIVE DRUG POLYMER DERIVATIVES DEBIO RECH PHARMA SA (CH) 1995-02-22 — — EP disclosed
US-5286637-A Biologically active drug polymer derivatives and method for preparing same DEBIOPHARM, S.A. (CH) 1994-02-15 — — US disclosed
EP-0437563-A1 BIOLOGICALLY ACTIVE DRUG POLYMER DERIVATIVES. DEBIOPHARM SA (CH) 1991-07-24 — — EP disclosed
WO-1991001758-A1 BIOLOGICALLY ACTIVE DRUG POLYMER DERIVATIVES DEBIOPHARM S.A. (CH) 1991-02-21 — — WO disclosed
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